azane;2,2,3-trimethylhexanedioic acid

C9H22N2O4 — CID 175059163

IUPACazane;2,2,3-trimethylhexanedioic acid
SMILESCC(CCC(=O)O)C(C)(C)C(=O)O.N.N
InChIInChI=1S/C9H16O4.2H3N/c1-6(4-5-7(10)11)9(2,3)8(12)13;;/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13);2*1H3
InChIKeyGXWAXKQTNPXCNO-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.92
Rot. Bonds5

About azane;2,2,3-trimethylhexanedioic acid

azane;2,2,3-trimethylhexanedioic acid (PubChem CID 175059163) has the molecular formula C9H22N2O4 and a molecular weight of 222.28 g/mol. Its IUPAC name is azane;2,2,3-trimethylhexanedioic acid.

Molecular Properties

Compound Nameazane;2,2,3-trimethylhexanedioic acid
PubChem CID175059163
Molecular FormulaC9H22N2O4
Molecular Weight222.28 g/mol
Exact Mass222.16
IUPAC Nameazane;2,2,3-trimethylhexanedioic acid
SMILESCC(CCC(=O)O)C(C)(C)C(=O)O.N.N
InChIInChI=1S/C9H16O4.2H3N/c1-6(4-5-7(10)11)9(2,3)8(12)13;;/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13);2*1H3
InChIKeyGXWAXKQTNPXCNO-UHFFFAOYSA-N
XLogP1.92
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-2,3-dimethylhexanedioic acid
CID 91573436
6-(2-hydroxyethoxy)-4,5,5-trimethyl-6-oxohexanoic acid
CID 88734161
butanedioic acid;(Z)-but-2-enedioic acid;decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid;pentanedioic acid;2,2,3-trimethylhexanedioic acid;2-undecylpropanedioic acid
CID 174786326
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
4-amino-6,6,7-trimethyl-5-oxooctanoic acid
CID 129034412
(4R)-4-methylsulfanylpentanoic acid
CID 94375114
3-methyl-2,2-dioctylhexanedioic acid
CID 135359147
magnesium;hydride;4-methylpentanoic acid
CID 174689724
butanoic acid;2-methylpropanoic acid
CID 87150327

Frequently Asked Questions

What is the IUPAC name of azane;2,2,3-trimethylhexanedioic acid?
The IUPAC name of azane;2,2,3-trimethylhexanedioic acid (CID 175059163) is azane;2,2,3-trimethylhexanedioic acid.
What is the SMILES notation for azane;2,2,3-trimethylhexanedioic acid?
The canonical SMILES for azane;2,2,3-trimethylhexanedioic acid is CC(CCC(=O)O)C(C)(C)C(=O)O.N.N.
What is the InChIKey of azane;2,2,3-trimethylhexanedioic acid?
The InChIKey is GXWAXKQTNPXCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.2H3N/c1-6(4-5-7(10)11)9(2,3)8(12)13;;/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13);2*1H3.
What are the key properties of azane;2,2,3-trimethylhexanedioic acid?
azane;2,2,3-trimethylhexanedioic acid has a molecular weight of 222.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,3-trimethylhexanedioic acid is sourced from PubChem (CID 175059163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).